4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

C16H12BrF3N2O3 — CID 35184223

IUPAC4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3N2O3/c17-11-3-1-10(2-4-11)15(24)21-9-14(23)22-12-5-7-13(8-6-12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyRXXLZFZPNZYWSQ-UHFFFAOYSA-N
MW417.18 g/mol
LogP3.72
Rot. Bonds5

About 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (PubChem CID 35184223) has the molecular formula C16H12BrF3N2O3 and a molecular weight of 417.18 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
PubChem CID35184223
Molecular FormulaC16H12BrF3N2O3
Molecular Weight417.18 g/mol
Exact Mass416.00
IUPAC Name4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3N2O3/c17-11-3-1-10(2-4-11)15(24)21-9-14(23)22-12-5-7-13(8-6-12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyRXXLZFZPNZYWSQ-UHFFFAOYSA-N
XLogP3.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.18
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 42963640
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide
CID 134010315
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (CID 35184223) is 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The InChIKey is RXXLZFZPNZYWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O3/c17-11-3-1-10(2-4-11)15(24)21-9-14(23)22-12-5-7-13(8-6-12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide has a molecular weight of 417.18 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is sourced from PubChem (CID 35184223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).